Diamantane diammonium-6 | SBID = 1345 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H36N2++
M / g/mol: 304.51324
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: Diamantane diammonium-6
  • Preferred Abbreviation: Diamantane diammonium-6
  • IUPAC Name:
  • CAS:
  • CID: -479
  • InChiKey: IFLUNCMEVBAFEI-WHVPHERUSA-N
  • InChi: InChI=1S/C20H36N2/c1-21(2,3)19-7-13-16-10-20(22(4,5)6)11-17(13)15(9-19)18(12-20)14(16)8-19/h13-18H,7-12H2,1-6H3/q+2/t13-,14+,15-,16-,17+,18-,19?,20?
  • CanoSmiles: C[N+](C)(C)C12C[C@H]3[C@@H]4CC(C5)([N+](C)(C)C)C[C@H]3[C@H](C2)[C@@H]5[C@@H]4C1
  • IsoSmiles: C[N+](C)(C)C12C[C@H]3[C@@H]4CC(C5)([N+](C)(C)C)C[C@H]3[C@H](C2)[C@@H]5[C@@H]4C1